N-fluoro-4-methylsulfonylaniline

C7H8FNO2S — CID 87383666

IUPACN-fluoro-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NF)cc1
InChIInChI=1S/C7H8FNO2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,1H3
InChIKeyZRRGTZQHONKXJC-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.39
Rot. Bonds2

About N-fluoro-4-methylsulfonylaniline

N-fluoro-4-methylsulfonylaniline (PubChem CID 87383666) has the molecular formula C7H8FNO2S and a molecular weight of 189.21 g/mol. Its IUPAC name is N-fluoro-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-fluoro-4-methylsulfonylaniline
PubChem CID87383666
Molecular FormulaC7H8FNO2S
Molecular Weight189.21 g/mol
Exact Mass189.03
IUPAC NameN-fluoro-4-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(NF)cc1
InChIInChI=1S/C7H8FNO2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,1H3
InChIKeyZRRGTZQHONKXJC-UHFFFAOYSA-N
XLogP1.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880
N-(1,1-difluoropropan-2-yl)-4-methylsulfonylaniline
CID 102867799
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
4-methylsulfonyl-N-nonylaniline
CID 43129285
N-but-3-ynyl-4-methylsulfonylaniline
CID 63654849
4-methylsulfonyl-N-(2-phenylethyl)aniline
CID 4654221
N-(3-methylbut-3-enyl)-4-methylsulfonylaniline
CID 114471944
N-(3,3-dimethylbutan-2-yl)-4-methylsulfonylaniline
CID 104828745
4-fluoro-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43194681
N-(3-methylsulfinylpropyl)-4-methylsulfonylaniline
CID 113412235
N-ethyl-2-(4-methylsulfonylanilino)ethanesulfonamide
CID 106338116
(1S,2R)-1-(4-fluorophenyl)-2-(4-methylsulfonylanilino)propan-1-ol
CID 99857846

Frequently Asked Questions

What is the IUPAC name of N-fluoro-4-methylsulfonylaniline?
The IUPAC name of N-fluoro-4-methylsulfonylaniline (CID 87383666) is N-fluoro-4-methylsulfonylaniline.
What is the SMILES notation for N-fluoro-4-methylsulfonylaniline?
The canonical SMILES for N-fluoro-4-methylsulfonylaniline is CS(=O)(=O)c1ccc(NF)cc1.
What is the InChIKey of N-fluoro-4-methylsulfonylaniline?
The InChIKey is ZRRGTZQHONKXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2S/c1-12(10,11)7-4-2-6(9-8)3-5-7/h2-5,9H,1H3.
What are the key properties of N-fluoro-4-methylsulfonylaniline?
N-fluoro-4-methylsulfonylaniline has a molecular weight of 189.21 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-4-methylsulfonylaniline is sourced from PubChem (CID 87383666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).